Crystallography Open Database

Information card for entry 7003136

Preview

Coordinates	7003136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 Al2 Cl6 N2
Calculated formula	C26 H36 Al2 Cl6 N2
SMILES	C(C=[N]([Al](Cl)(Cl)Cl)c1c(cccc1C(C)C)C(C)C)=[N]([Al](Cl)(Cl)Cl)c1c(cccc1C(C)C)C(C)C
Title of publication	Light group 13 chloride diazadiene complexes: consequences of varying substituent bulk
Authors of publication	Hinchliffe, Alan; Mair, Francis S.; McInnes, Eric J. L.; Pritchard, Robin G.; Warren, John E.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	2
Pages of publication	222 - 233
a	8.4674 ± 0.0004 Å
b	9.3576 ± 0.0005 Å
c	11.0134 ± 0.0006 Å
α	79.379 ± 0.002°
β	77.968 ± 0.002°
γ	66.034 ± 0.004°
Cell volume	775.03 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1095
Residual factor for significantly intense reflections	0.102
Weighted residual factors for significantly intense reflections	0.2321
Weighted residual factors for all reflections included in the refinement	0.2361
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179735 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/31.	7003136.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003136.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003136.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003136.cif